Geometry & MOs

Info

ID:	190252
PubChem CID:	77977224
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	574.119206
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	5.03
IP(EA), eV:	-10.52(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 7-[acetyl(thiophen-2-yl)amino]-3-[(2-hydroxyoxan-2-yl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NC(=O)C(C=C1C(=O)CO)C#N

DOS

IR

Vibrations